REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3bbo_1_H DATA FIRST_RESID 18 DATA SEQUENCE RLKTNYIEKM VPLLKEEFSY SNILEVPKVV KIVVNCGIGD ASQNAKGLDA DATA SEQUENCE AINELALITG QRPVKTKAKT SIAGFKVREG MTLGIAVTLR GNLMYSFLDR DATA SEQUENCE LINLALPRTR DFQGVNPNSF DGHGNYSVGF REQSVFPEIK PEIVGKARGM DATA SEQUENCE DVCITTTAKT DKEAYKLLSL MGMPF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.312 176.300 0.021 0.000 0.893 18 R CA 0.000 56.112 56.100 0.020 0.000 0.921 18 R CB 0.000 30.316 30.300 0.027 0.000 0.687 19 L N 2.161 123.403 121.223 0.031 0.000 2.072 19 L HA 0.015 4.355 4.340 0.000 0.000 0.205 19 L C 1.971 178.817 176.870 -0.039 0.000 1.079 19 L CA 1.945 56.810 54.840 0.041 0.000 0.752 19 L CB -0.645 41.471 42.059 0.096 0.000 0.906 19 L HN 0.265 nan 8.230 nan 0.000 0.436 20 K N -0.375 119.943 120.400 -0.137 0.000 2.062 20 K HA -0.102 4.218 4.320 0.000 0.000 0.205 20 K C 1.853 178.352 176.600 -0.168 0.000 1.051 20 K CA 1.753 57.787 56.287 -0.420 0.000 0.941 20 K CB -0.197 32.056 32.500 -0.412 0.000 0.719 20 K HN 0.297 nan 8.250 nan 0.000 0.440 21 T N 1.912 116.426 114.554 -0.067 0.000 2.746 21 T HA -0.128 4.222 4.350 0.000 0.000 0.267 21 T C 1.636 176.340 174.700 0.006 0.000 1.039 21 T CA 1.337 63.425 62.100 -0.019 0.000 1.142 21 T CB -0.368 68.496 68.868 -0.007 0.000 0.866 21 T HN 0.331 nan 8.240 nan 0.000 0.444 22 N N 0.415 119.126 118.700 0.019 0.000 2.348 22 N HA -0.154 4.586 4.740 0.000 0.000 0.185 22 N C 1.669 177.217 175.510 0.063 0.000 1.019 22 N CA 0.917 53.989 53.050 0.037 0.000 0.880 22 N CB -0.293 38.223 38.487 0.049 0.000 0.965 22 N HN 0.459 nan 8.380 nan 0.000 0.437 23 Y N 2.254 122.510 120.300 -0.072 0.000 2.114 23 Y HA -0.097 4.453 4.550 0.000 0.000 0.284 23 Y C 1.643 177.521 175.900 -0.037 0.000 1.143 23 Y CA 1.339 59.401 58.100 -0.063 0.000 1.135 23 Y CB -0.340 38.032 38.460 -0.147 0.000 0.980 23 Y HN 0.067 nan 8.280 nan 0.000 0.499 24 I N 0.901 121.397 120.570 -0.122 0.000 3.595 24 I HA 0.284 4.454 4.170 0.000 0.000 0.336 24 I C -0.408 175.649 176.117 -0.100 0.000 1.402 24 I CA 0.518 61.706 61.300 -0.185 0.000 1.223 24 I CB -0.947 37.005 38.000 -0.080 0.000 1.455 24 I HN 0.484 nan 8.210 nan 0.000 0.456 25 E N 0.545 120.693 120.200 -0.087 0.000 2.594 25 E HA 0.137 4.487 4.350 0.000 0.000 0.173 25 E C 0.534 177.112 176.600 -0.037 0.000 0.905 25 E CA -0.100 56.271 56.400 -0.048 0.000 1.344 25 E CB 0.111 29.797 29.700 -0.024 0.000 1.156 25 E HN 0.235 nan 8.360 nan 0.000 0.578 26 K N -0.945 119.425 120.400 -0.050 0.000 2.639 26 K HA 0.309 4.629 4.320 0.000 0.000 0.155 26 K C 1.112 177.694 176.600 -0.029 0.000 2.086 26 K CA 1.096 57.367 56.287 -0.026 0.000 1.353 26 K CB -0.727 31.773 32.500 -0.000 0.000 2.331 26 K HN 0.046 nan 8.250 nan 0.000 0.554 27 M N 1.079 120.658 119.600 -0.035 0.000 2.066 27 M HA 0.040 4.520 4.480 0.000 0.000 0.259 27 M C 1.522 177.770 176.300 -0.087 0.000 1.074 27 M CA 2.056 57.351 55.300 -0.008 0.000 1.114 27 M CB -0.467 32.193 32.600 0.100 0.000 1.306 27 M HN 0.023 nan 8.290 nan 0.000 0.411 28 V N 0.823 120.566 119.914 -0.286 0.000 2.287 28 V HA -0.219 3.901 4.120 0.000 0.000 0.248 28 V C -0.508 175.525 176.094 -0.101 0.000 1.053 28 V CA 2.236 64.377 62.300 -0.265 0.000 1.027 28 V CB -2.361 29.201 31.823 -0.435 0.000 0.646 28 V HN 0.345 nan 8.190 nan 0.000 0.447 29 P HA -0.178 nan 4.420 nan 0.000 0.214 29 P C 1.933 179.223 177.300 -0.017 0.000 1.169 29 P CA 1.492 64.570 63.100 -0.037 0.000 0.908 29 P CB -0.128 31.549 31.700 -0.039 0.000 0.791 30 L N -1.659 119.548 121.223 -0.027 0.000 2.191 30 L HA -0.121 4.219 4.340 0.000 0.000 0.212 30 L C 2.189 179.027 176.870 -0.053 0.000 1.103 30 L CA 1.629 56.445 54.840 -0.040 0.000 0.769 30 L CB -1.562 40.474 42.059 -0.039 0.000 0.908 30 L HN 0.109 nan 8.230 nan 0.000 0.438 31 L N -0.664 120.565 121.223 0.010 0.000 2.552 31 L HA -0.133 4.207 4.340 0.000 0.000 0.227 31 L C 2.269 179.256 176.870 0.194 0.000 1.146 31 L CA 0.341 55.258 54.840 0.127 0.000 0.858 31 L CB -0.263 41.923 42.059 0.211 0.000 0.969 31 L HN 0.168 nan 8.230 nan 0.000 0.451 32 K N 0.636 121.094 120.400 0.098 0.000 2.308 32 K HA -0.063 4.257 4.320 0.000 0.000 0.197 32 K C 1.905 178.592 176.600 0.146 0.000 1.049 32 K CA 0.685 57.057 56.287 0.141 0.000 0.991 32 K CB 0.347 32.921 32.500 0.123 0.000 0.836 32 K HN 0.434 nan 8.250 nan 0.000 0.500 33 E N -0.701 119.527 120.200 0.047 0.000 2.127 33 E HA -0.049 4.301 4.350 0.000 0.000 0.191 33 E C 1.328 177.892 176.600 -0.059 0.000 0.964 33 E CA 0.519 56.919 56.400 -0.000 0.000 0.832 33 E CB -0.169 29.509 29.700 -0.038 0.000 0.790 33 E HN 0.041 nan 8.360 nan 0.000 0.465 34 E N 0.596 120.693 120.200 -0.171 0.000 2.051 34 E HA -0.012 4.338 4.350 0.000 0.000 0.192 34 E C 0.265 176.664 176.600 -0.336 0.000 0.991 34 E CA 0.987 57.181 56.400 -0.343 0.000 0.799 34 E CB -0.150 29.179 29.700 -0.619 0.000 0.748 34 E HN 0.178 nan 8.360 nan 0.000 0.449 35 F N -0.447 119.510 119.950 0.011 0.000 2.272 35 F HA 0.304 4.831 4.527 0.000 0.000 0.316 35 F C 1.062 176.883 175.800 0.034 0.000 1.068 35 F CA -1.117 56.888 58.000 0.008 0.000 1.114 35 F CB -0.334 38.661 39.000 -0.009 0.000 1.611 35 F HN -0.350 nan 8.300 nan 0.000 0.519 36 S N -0.373 115.490 115.700 0.272 0.000 2.549 36 S HA 0.050 4.520 4.470 0.000 0.000 0.286 36 S C -0.875 173.836 174.600 0.185 0.000 1.314 36 S CA -0.349 57.953 58.200 0.170 0.000 1.062 36 S CB -0.415 62.844 63.200 0.100 0.000 0.865 36 S HN 0.374 nan 8.310 nan 0.000 0.498 37 Y N 4.705 125.032 120.300 0.045 0.000 2.402 37 Y HA 0.486 5.036 4.550 0.000 0.000 0.333 37 Y C 0.575 176.488 175.900 0.022 0.000 1.076 37 Y CA 0.634 58.752 58.100 0.030 0.000 1.299 37 Y CB 0.625 39.094 38.460 0.016 0.000 1.197 37 Y HN 0.757 nan 8.280 nan 0.000 0.517 38 S N 3.429 118.831 115.700 -0.496 0.000 4.226 38 S HA 0.286 4.756 4.470 0.000 0.000 0.268 38 S C -0.311 174.023 174.600 -0.443 0.000 1.036 38 S CA -0.046 57.895 58.200 -0.432 0.000 1.278 38 S CB -0.461 62.634 63.200 -0.175 0.000 1.727 38 S HN 0.833 nan 8.310 nan 0.000 0.608 39 N N 1.024 119.588 118.700 -0.227 0.000 2.318 39 N HA 0.324 5.064 4.740 0.000 0.000 0.283 39 N C 1.200 176.642 175.510 -0.112 0.000 1.306 39 N CA 0.470 53.426 53.050 -0.156 0.000 0.941 39 N CB -0.427 38.005 38.487 -0.092 0.000 1.059 39 N HN 0.548 nan 8.380 nan 0.000 0.496 40 I N -1.519 119.013 120.570 -0.064 0.000 2.729 40 I HA 0.070 4.240 4.170 0.000 0.000 0.256 40 I C 0.920 177.023 176.117 -0.024 0.000 1.115 40 I CA -0.026 61.249 61.300 -0.040 0.000 1.446 40 I CB -0.436 37.547 38.000 -0.029 0.000 1.176 40 I HN 0.384 nan 8.210 nan 0.000 0.446 41 L N 0.967 122.183 121.223 -0.010 0.000 2.491 41 L HA 0.079 4.419 4.340 0.000 0.000 0.158 41 L C 1.258 178.132 176.870 0.006 0.000 1.029 41 L CA -0.069 54.780 54.840 0.015 0.000 1.656 41 L CB -1.338 40.733 42.059 0.021 0.000 2.075 41 L HN 0.552 nan 8.230 nan 0.000 0.484 42 E N -2.041 118.163 120.200 0.007 0.000 2.735 42 E HA -0.220 4.130 4.350 0.000 0.000 0.261 42 E C -0.404 176.182 176.600 -0.024 0.000 1.137 42 E CA 0.639 57.030 56.400 -0.015 0.000 0.754 42 E CB -2.601 27.079 29.700 -0.034 0.000 1.352 42 E HN 0.670 nan 8.360 nan 0.000 0.430 43 V N -4.234 115.691 119.914 0.019 0.000 2.732 43 V HA 0.666 4.786 4.120 0.000 0.000 0.310 43 V C -2.300 173.836 176.094 0.071 0.000 1.053 43 V CA -2.661 59.658 62.300 0.033 0.000 0.957 43 V CB 1.427 33.291 31.823 0.069 0.000 1.018 43 V HN -0.107 nan 8.190 nan 0.000 0.452 44 P HA 0.155 nan 4.420 nan 0.000 0.256 44 P C -0.784 176.623 177.300 0.178 0.000 1.173 44 P CA 0.565 63.701 63.100 0.060 0.000 0.768 44 P CB 0.106 31.833 31.700 0.044 0.000 0.758 45 K N 3.030 123.495 120.400 0.109 0.000 2.535 45 K HA 0.316 4.636 4.320 0.000 0.000 0.250 45 K C -0.959 175.647 176.600 0.009 0.000 0.948 45 K CA -0.812 55.514 56.287 0.064 0.000 0.796 45 K CB 1.540 34.093 32.500 0.088 0.000 1.216 45 K HN 0.023 nan 8.250 nan 0.000 0.432 46 V N 4.258 124.166 119.914 -0.010 0.000 2.673 46 V HA -0.041 4.079 4.120 0.000 0.000 0.303 46 V C 1.088 177.136 176.094 -0.076 0.000 1.046 46 V CA 0.163 62.448 62.300 -0.024 0.000 1.126 46 V CB 1.218 33.023 31.823 -0.030 0.000 0.934 46 V HN 0.755 nan 8.190 nan 0.000 0.487 47 V N 4.320 124.201 119.914 -0.055 0.000 3.212 47 V HA 0.284 4.404 4.120 0.000 0.000 0.244 47 V C 0.606 176.648 176.094 -0.087 0.000 1.151 47 V CA 1.442 63.704 62.300 -0.063 0.000 1.119 47 V CB 0.094 31.903 31.823 -0.023 0.000 0.838 47 V HN 1.065 nan 8.190 nan 0.000 0.470 48 K N -0.342 120.019 120.400 -0.065 0.000 2.615 48 K HA 0.494 4.814 4.320 0.000 0.000 0.291 48 K C -1.707 174.881 176.600 -0.019 0.000 1.017 48 K CA -0.837 55.415 56.287 -0.059 0.000 0.882 48 K CB 1.578 34.055 32.500 -0.039 0.000 1.522 48 K HN 0.015 nan 8.250 nan 0.000 0.412 49 I N 1.983 122.552 120.570 -0.002 0.000 2.542 49 I HA 0.177 4.347 4.170 0.000 0.000 0.278 49 I C -1.048 175.094 176.117 0.043 0.000 1.069 49 I CA -1.097 60.235 61.300 0.053 0.000 1.100 49 I CB 2.104 40.179 38.000 0.125 0.000 1.204 49 I HN 0.317 nan 8.210 nan 0.000 0.470 50 V N 6.669 126.604 119.914 0.034 0.000 2.339 50 V HA 0.073 4.193 4.120 0.000 0.000 0.261 50 V C 0.761 176.873 176.094 0.030 0.000 1.058 50 V CA -0.527 61.780 62.300 0.013 0.000 0.897 50 V CB 1.108 32.936 31.823 0.008 0.000 1.052 50 V HN 0.567 nan 8.190 nan 0.000 0.480 51 V N 2.211 122.137 119.914 0.020 0.000 2.525 51 V HA 0.311 4.431 4.120 0.000 0.000 0.326 51 V C 0.784 176.872 176.094 -0.009 0.000 1.477 51 V CA -0.696 61.620 62.300 0.026 0.000 1.579 51 V CB -0.393 31.457 31.823 0.046 0.000 1.489 51 V HN 0.781 nan 8.190 nan 0.000 0.541 52 N N 1.731 120.432 118.700 0.002 0.000 2.353 52 N HA -0.039 4.701 4.740 0.000 0.000 0.248 52 N C -0.434 175.080 175.510 0.006 0.000 1.240 52 N CA 0.541 53.590 53.050 -0.003 0.000 0.862 52 N CB 1.338 39.829 38.487 0.007 0.000 1.086 52 N HN 0.709 nan 8.380 nan 0.000 0.453 53 C N 4.337 123.635 119.300 -0.003 0.000 3.002 53 C HA 0.524 4.984 4.460 0.000 0.000 0.248 53 C C 0.917 175.911 174.990 0.006 0.000 1.153 53 C CA -0.476 58.546 59.018 0.007 0.000 1.502 53 C CB -1.237 26.501 27.740 -0.004 0.000 1.805 53 C HN 0.730 nan 8.230 nan 0.000 0.450 54 G N 3.172 111.980 108.800 0.013 0.000 2.630 54 G HA2 0.388 4.348 3.960 0.000 0.000 0.236 54 G HA3 0.388 4.348 3.960 0.000 0.000 0.236 54 G C -0.634 174.270 174.900 0.005 0.000 1.248 54 G CA 0.036 45.141 45.100 0.008 0.000 0.844 54 G HN 0.786 nan 8.290 nan 0.000 0.588 55 I N -0.160 120.409 120.570 -0.003 0.000 2.693 55 I HA 0.623 4.793 4.170 0.000 0.000 0.303 55 I C 0.827 176.935 176.117 -0.015 0.000 1.025 55 I CA -0.867 60.428 61.300 -0.007 0.000 1.086 55 I CB 1.797 39.790 38.000 -0.011 0.000 1.268 55 I HN 0.631 nan 8.210 nan 0.000 0.440 56 G N 6.403 115.192 108.800 -0.018 0.000 2.209 56 G HA2 0.090 4.051 3.960 0.000 0.000 0.271 56 G HA3 0.090 4.051 3.960 0.000 0.000 0.271 56 G C 0.150 175.021 174.900 -0.049 0.000 1.111 56 G CA -0.093 44.988 45.100 -0.032 0.000 1.092 56 G HN 0.812 nan 8.290 nan 0.000 0.416 57 D N 2.253 122.615 120.400 -0.063 0.000 2.274 57 D HA 0.345 4.985 4.640 0.000 0.000 0.256 57 D C 1.477 177.700 176.300 -0.128 0.000 1.274 57 D CA 0.322 54.271 54.000 -0.085 0.000 0.998 57 D CB 0.200 40.946 40.800 -0.090 0.000 1.139 57 D HN 1.112 nan 8.370 nan 0.000 0.540 58 A N -0.169 122.552 122.820 -0.164 0.000 1.282 58 A HA -0.279 4.041 4.320 0.000 0.000 0.226 58 A C 1.039 178.556 177.584 -0.112 0.000 0.465 58 A CA 2.601 54.520 52.037 -0.197 0.000 1.095 58 A CB -2.690 16.135 19.000 -0.292 0.000 1.470 58 A HN 1.561 nan 8.150 nan 0.000 0.723 59 S N 1.869 117.514 115.700 -0.093 0.000 2.571 59 S HA 0.395 4.865 4.470 0.000 0.000 0.297 59 S C -0.010 174.564 174.600 -0.044 0.000 1.234 59 S CA 0.523 58.688 58.200 -0.059 0.000 1.120 59 S CB 0.254 63.425 63.200 -0.049 0.000 0.923 59 S HN 0.608 nan 8.310 nan 0.000 0.504 60 Q N 3.602 123.381 119.800 -0.035 0.000 2.452 60 Q HA 0.221 4.561 4.340 0.000 0.000 0.230 60 Q C -0.164 175.824 176.000 -0.020 0.000 1.180 60 Q CA -0.220 55.568 55.803 -0.025 0.000 0.914 60 Q CB -0.005 28.721 28.738 -0.019 0.000 1.408 60 Q HN 0.845 nan 8.270 nan 0.000 0.520 61 N N 0.247 118.935 118.700 -0.020 0.000 2.336 61 N HA 0.279 5.019 4.740 0.000 0.000 0.290 61 N C -0.442 175.059 175.510 -0.015 0.000 1.058 61 N CA -0.561 52.480 53.050 -0.016 0.000 0.865 61 N CB 1.679 40.156 38.487 -0.017 0.000 1.581 61 N HN 0.261 nan 8.380 nan 0.000 0.480 62 A N 1.786 124.599 122.820 -0.012 0.000 2.123 62 A HA -0.025 4.295 4.320 0.000 0.000 0.214 62 A C 1.766 179.343 177.584 -0.012 0.000 1.152 62 A CA 0.645 52.675 52.037 -0.012 0.000 0.728 62 A CB -0.152 18.842 19.000 -0.010 0.000 0.814 62 A HN 0.589 nan 8.150 nan 0.000 0.464 63 K N -0.069 120.325 120.400 -0.011 0.000 2.026 63 K HA -0.109 4.211 4.320 0.000 0.000 0.208 63 K C 2.063 178.657 176.600 -0.011 0.000 1.048 63 K CA 1.466 57.747 56.287 -0.010 0.000 0.929 63 K CB -1.111 31.383 32.500 -0.009 0.000 0.713 63 K HN 0.425 nan 8.250 nan 0.000 0.439 64 G N 1.642 110.435 108.800 -0.012 0.000 2.448 64 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 64 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 64 G C 1.603 176.496 174.900 -0.012 0.000 1.127 64 G CA 0.397 45.490 45.100 -0.011 0.000 0.766 64 G HN 0.231 nan 8.290 nan 0.000 0.552 65 L N 0.020 121.235 121.223 -0.013 0.000 2.044 65 L HA 0.006 4.346 4.340 0.000 0.000 0.205 65 L C 2.178 179.039 176.870 -0.015 0.000 1.075 65 L CA 1.587 56.419 54.840 -0.014 0.000 0.747 65 L CB -0.202 41.849 42.059 -0.014 0.000 0.903 65 L HN 0.085 nan 8.230 nan 0.000 0.435 66 D N 0.228 120.620 120.400 -0.014 0.000 2.224 66 D HA -0.109 4.531 4.640 0.000 0.000 0.205 66 D C 2.031 178.323 176.300 -0.014 0.000 0.965 66 D CA 1.218 55.210 54.000 -0.015 0.000 0.852 66 D CB 0.136 40.929 40.800 -0.013 0.000 0.947 66 D HN 0.484 nan 8.370 nan 0.000 0.494 67 A N 0.636 123.449 122.820 -0.012 0.000 2.168 67 A HA 0.184 4.504 4.320 0.000 0.000 0.215 67 A C 2.105 179.683 177.584 -0.010 0.000 1.152 67 A CA 1.359 53.391 52.037 -0.009 0.000 0.716 67 A CB -0.030 18.966 19.000 -0.007 0.000 0.794 67 A HN 0.229 nan 8.150 nan 0.000 0.465 68 A N -0.472 122.340 122.820 -0.014 0.000 1.920 68 A HA 0.230 4.550 4.320 0.000 0.000 0.209 68 A C 1.953 179.521 177.584 -0.026 0.000 1.229 68 A CA 0.766 52.793 52.037 -0.017 0.000 0.671 68 A CB -0.399 18.591 19.000 -0.015 0.000 0.886 68 A HN 0.372 nan 8.150 nan 0.000 0.461 69 I N 1.333 121.886 120.570 -0.027 0.000 2.264 69 I HA -0.204 3.966 4.170 0.000 0.000 0.248 69 I C 0.639 176.734 176.117 -0.038 0.000 1.111 69 I CA 1.643 62.922 61.300 -0.034 0.000 1.382 69 I CB -0.908 37.074 38.000 -0.030 0.000 1.060 69 I HN 0.396 nan 8.210 nan 0.000 0.418 70 N N 0.335 119.017 118.700 -0.030 0.000 2.313 70 N HA -0.077 4.663 4.740 0.000 0.000 0.207 70 N C 1.078 176.572 175.510 -0.027 0.000 1.141 70 N CA -0.097 52.936 53.050 -0.029 0.000 0.830 70 N CB 0.508 38.982 38.487 -0.021 0.000 1.008 70 N HN 0.348 nan 8.380 nan 0.000 0.481 71 E N 0.770 120.952 120.200 -0.030 0.000 2.207 71 E HA 0.162 4.513 4.350 0.000 0.000 0.197 71 E C 1.518 178.091 176.600 -0.045 0.000 0.914 71 E CA 0.380 56.766 56.400 -0.024 0.000 0.914 71 E CB 0.047 29.740 29.700 -0.012 0.000 0.893 71 E HN 0.137 nan 8.360 nan 0.000 0.479 72 L N 0.492 121.674 121.223 -0.068 0.000 2.313 72 L HA 0.203 4.543 4.340 0.000 0.000 0.214 72 L C 1.998 178.784 176.870 -0.141 0.000 1.119 72 L CA 0.708 55.478 54.840 -0.116 0.000 0.809 72 L CB -0.293 41.693 42.059 -0.123 0.000 0.933 72 L HN 0.147 nan 8.230 nan 0.000 0.449 73 A N -0.180 122.577 122.820 -0.104 0.000 2.248 73 A HA 0.019 4.340 4.320 0.000 0.000 0.210 73 A C 2.000 179.526 177.584 -0.097 0.000 1.174 73 A CA 0.933 52.907 52.037 -0.104 0.000 0.750 73 A CB -0.340 18.616 19.000 -0.074 0.000 0.780 73 A HN 0.424 nan 8.150 nan 0.000 0.478 74 L N -1.205 119.963 121.223 -0.092 0.000 2.433 74 L HA 0.141 4.481 4.340 0.000 0.000 0.200 74 L C 2.339 179.160 176.870 -0.082 0.000 1.059 74 L CA 0.738 55.538 54.840 -0.067 0.000 0.835 74 L CB -0.442 41.598 42.059 -0.033 0.000 1.076 74 L HN 0.530 nan 8.230 nan 0.000 0.481 75 I N -1.680 118.823 120.570 -0.112 0.000 2.493 75 I HA -0.128 4.042 4.170 0.000 0.000 0.254 75 I C 2.076 178.058 176.117 -0.224 0.000 1.160 75 I CA 1.787 63.020 61.300 -0.113 0.000 1.445 75 I CB -0.572 37.301 38.000 -0.211 0.000 1.086 75 I HN 0.298 nan 8.210 nan 0.000 0.433 76 T N -2.873 111.446 114.554 -0.391 0.000 2.971 76 T HA 0.387 4.737 4.350 0.000 0.000 0.252 76 T C 1.555 176.064 174.700 -0.318 0.000 1.022 76 T CA 0.370 62.109 62.100 -0.602 0.000 0.980 76 T CB 0.207 68.642 68.868 -0.722 0.000 1.044 76 T HN 0.636 nan 8.240 nan 0.000 0.501 77 G N 1.502 110.180 108.800 -0.203 0.000 2.305 77 G HA2 -0.257 3.703 3.960 0.000 0.000 0.287 77 G HA3 -0.257 3.703 3.960 0.000 0.000 0.287 77 G C -0.302 174.520 174.900 -0.131 0.000 1.036 77 G CA 0.541 45.562 45.100 -0.132 0.000 0.887 77 G HN 0.934 nan 8.290 nan 0.000 0.505 78 Q N -0.868 118.841 119.800 -0.151 0.000 2.268 78 Q HA 0.436 4.776 4.340 0.000 0.000 0.266 78 Q C 0.277 176.210 176.000 -0.112 0.000 1.006 78 Q CA -1.026 54.700 55.803 -0.129 0.000 0.824 78 Q CB 1.256 29.901 28.738 -0.155 0.000 1.306 78 Q HN 0.435 nan 8.270 nan 0.000 0.424 79 R N 4.160 124.610 120.500 -0.083 0.000 2.486 79 R HA 0.056 4.396 4.340 0.000 0.000 0.303 79 R C -2.073 174.184 176.300 -0.072 0.000 0.958 79 R CA -0.699 55.360 56.100 -0.069 0.000 1.077 79 R CB -0.346 29.922 30.300 -0.053 0.000 0.921 79 R HN 0.427 nan 8.270 nan 0.000 0.406 80 P HA -0.063 nan 4.420 nan 0.000 0.281 80 P C -0.291 176.978 177.300 -0.051 0.000 1.274 80 P CA -0.184 62.876 63.100 -0.066 0.000 0.794 80 P CB 0.491 32.155 31.700 -0.059 0.000 1.201 81 V N -0.339 119.548 119.914 -0.044 0.000 3.193 81 V HA 0.394 4.515 4.120 0.000 0.000 0.320 81 V C 0.288 176.366 176.094 -0.027 0.000 1.112 81 V CA -0.464 61.815 62.300 -0.034 0.000 1.026 81 V CB 1.494 33.299 31.823 -0.031 0.000 1.128 81 V HN 0.318 nan 8.190 nan 0.000 0.452 82 K N 1.311 121.698 120.400 -0.022 0.000 3.022 82 K HA 0.283 4.603 4.320 0.000 0.000 0.178 82 K C -0.088 176.504 176.600 -0.013 0.000 1.089 82 K CA -0.188 56.089 56.287 -0.017 0.000 0.916 82 K CB 0.951 33.441 32.500 -0.016 0.000 1.159 82 K HN 0.788 nan 8.250 nan 0.000 0.592 83 T N 1.382 115.929 114.554 -0.012 0.000 2.937 83 T HA 0.060 4.410 4.350 0.000 0.000 0.316 83 T C 0.019 174.716 174.700 -0.005 0.000 1.079 83 T CA 0.384 62.479 62.100 -0.008 0.000 1.131 83 T CB 0.329 69.194 68.868 -0.006 0.000 1.000 83 T HN 0.084 nan 8.240 nan 0.000 0.549 84 K N 2.553 122.951 120.400 -0.002 0.000 2.259 84 K HA 0.590 4.911 4.320 0.000 0.000 0.249 84 K C -0.248 176.355 176.600 0.004 0.000 0.942 84 K CA -0.780 55.507 56.287 -0.000 0.000 0.816 84 K CB 1.808 34.307 32.500 -0.001 0.000 1.155 84 K HN 0.748 nan 8.250 nan 0.000 0.428 85 A N 3.177 126.001 122.820 0.006 0.000 2.537 85 A HA 0.030 4.350 4.320 0.000 0.000 0.260 85 A C 0.051 177.642 177.584 0.013 0.000 1.082 85 A CA 0.196 52.240 52.037 0.012 0.000 0.765 85 A CB -0.420 18.589 19.000 0.015 0.000 1.019 85 A HN 0.545 nan 8.150 nan 0.000 0.507 86 K N 2.154 122.563 120.400 0.014 0.000 2.485 86 K HA 0.105 4.425 4.320 0.000 0.000 0.277 86 K C 0.138 176.746 176.600 0.015 0.000 0.990 86 K CA 0.398 56.693 56.287 0.013 0.000 0.994 86 K CB 0.213 32.721 32.500 0.013 0.000 0.906 86 K HN 0.674 nan 8.250 nan 0.000 0.488 87 T N 2.776 117.336 114.554 0.011 0.000 2.765 87 T HA 0.098 4.448 4.350 0.000 0.000 0.284 87 T C -0.010 174.697 174.700 0.012 0.000 0.946 87 T CA -0.039 62.068 62.100 0.011 0.000 1.185 87 T CB -0.167 68.705 68.868 0.008 0.000 0.887 87 T HN 0.719 nan 8.240 nan 0.000 0.532 88 S N 2.563 118.272 115.700 0.015 0.000 2.587 88 S HA 0.595 5.065 4.470 0.000 0.000 0.269 88 S C -1.459 173.150 174.600 0.015 0.000 1.154 88 S CA -1.145 57.064 58.200 0.014 0.000 0.824 88 S CB 1.183 64.393 63.200 0.016 0.000 1.118 88 S HN 0.351 nan 8.310 nan 0.000 0.462 89 I N 2.038 122.613 120.570 0.009 0.000 2.371 89 I HA 0.651 4.821 4.170 0.000 0.000 0.282 89 I C 0.722 176.837 176.117 -0.004 0.000 1.031 89 I CA -0.285 61.018 61.300 0.005 0.000 1.180 89 I CB 0.186 38.186 38.000 -0.001 0.000 1.336 89 I HN 0.994 nan 8.210 nan 0.000 0.467 90 A N 4.574 127.395 122.820 0.002 0.000 2.580 90 A HA 0.822 5.142 4.320 0.000 0.000 0.275 90 A C 1.266 178.806 177.584 -0.073 0.000 1.321 90 A CA 0.192 52.213 52.037 -0.027 0.000 0.924 90 A CB 0.105 19.116 19.000 0.019 0.000 1.512 90 A HN 0.657 nan 8.150 nan 0.000 0.492 91 G N -1.200 107.484 108.800 -0.193 0.000 2.441 91 G HA2 0.286 4.246 3.960 0.000 0.000 0.212 91 G HA3 0.286 4.246 3.960 0.000 0.000 0.212 91 G C 0.361 175.139 174.900 -0.204 0.000 1.164 91 G CA 0.101 45.045 45.100 -0.261 0.000 0.811 91 G HN 0.362 nan 8.290 nan 0.000 0.535 92 F N 0.671 120.622 119.950 0.003 0.000 2.472 92 F HA 0.312 4.839 4.527 0.000 0.000 0.312 92 F C 1.397 177.198 175.800 0.002 0.000 1.256 92 F CA -0.111 57.890 58.000 0.003 0.000 1.275 92 F CB 0.617 39.618 39.000 0.003 0.000 1.228 92 F HN -0.161 nan 8.300 nan 0.000 0.567 93 K N 0.468 121.008 120.400 0.234 0.000 2.827 93 K HA 0.283 4.603 4.320 0.000 0.000 0.222 93 K C -0.925 175.730 176.600 0.092 0.000 1.114 93 K CA -0.110 56.248 56.287 0.117 0.000 1.206 93 K CB -0.043 32.507 32.500 0.082 0.000 1.035 93 K HN 0.192 nan 8.250 nan 0.000 0.464 94 V N 2.559 122.543 119.914 0.117 0.000 2.583 94 V HA 0.143 4.263 4.120 0.000 0.000 0.287 94 V C 0.675 176.801 176.094 0.053 0.000 1.051 94 V CA -0.492 61.852 62.300 0.074 0.000 1.010 94 V CB 0.662 32.539 31.823 0.091 0.000 0.988 94 V HN 0.480 nan 8.190 nan 0.000 0.478 95 R N 2.964 123.484 120.500 0.033 0.000 2.797 95 R HA 0.675 5.015 4.340 0.000 0.000 0.251 95 R C -0.499 175.813 176.300 0.020 0.000 1.107 95 R CA -0.880 55.234 56.100 0.025 0.000 1.084 95 R CB 1.352 31.663 30.300 0.017 0.000 1.205 95 R HN 0.527 nan 8.270 nan 0.000 0.515 96 E N -0.092 120.117 120.200 0.016 0.000 2.156 96 E HA 0.291 4.641 4.350 0.000 0.000 0.279 96 E C -0.050 176.555 176.600 0.008 0.000 0.965 96 E CA 0.142 56.549 56.400 0.013 0.000 0.789 96 E CB 1.337 31.044 29.700 0.012 0.000 1.098 96 E HN 0.900 nan 8.360 nan 0.000 0.397 97 G N 4.018 112.822 108.800 0.006 0.000 2.273 97 G HA2 -0.161 3.799 3.960 0.000 0.000 0.162 97 G HA3 -0.161 3.799 3.960 0.000 0.000 0.162 97 G C 0.138 175.038 174.900 0.001 0.000 1.006 97 G CA -0.156 44.946 45.100 0.003 0.000 0.704 97 G HN 0.446 nan 8.290 nan 0.000 0.487 98 M N 2.020 121.621 119.600 0.001 0.000 2.300 98 M HA 0.457 4.937 4.480 0.000 0.000 0.348 98 M C 0.031 176.329 176.300 -0.004 0.000 1.151 98 M CA -0.271 55.028 55.300 -0.002 0.000 1.046 98 M CB 1.585 34.183 32.600 -0.002 0.000 1.647 98 M HN 0.030 nan 8.290 nan 0.000 0.451 99 T N 4.462 119.012 114.554 -0.007 0.000 2.832 99 T HA 0.448 4.798 4.350 0.000 0.000 0.296 99 T C 0.131 174.825 174.700 -0.010 0.000 0.968 99 T CA -0.451 61.645 62.100 -0.008 0.000 1.107 99 T CB 0.279 69.141 68.868 -0.010 0.000 0.916 99 T HN 0.573 nan 8.240 nan 0.000 0.517 100 L N 0.309 121.526 121.223 -0.009 0.000 3.313 100 L HA 0.781 5.121 4.340 0.000 0.000 0.339 100 L C 0.095 176.960 176.870 -0.009 0.000 1.309 100 L CA -0.618 54.215 54.840 -0.011 0.000 0.867 100 L CB 0.048 42.100 42.059 -0.012 0.000 1.316 100 L HN 0.791 nan 8.230 nan 0.000 0.604 101 G N 0.378 109.173 108.800 -0.009 0.000 2.355 101 G HA2 0.603 4.563 3.960 0.000 0.000 0.296 101 G HA3 0.603 4.563 3.960 0.000 0.000 0.296 101 G C -1.845 173.047 174.900 -0.013 0.000 1.507 101 G CA -0.180 44.915 45.100 -0.008 0.000 0.823 101 G HN 0.653 nan 8.290 nan 0.000 0.569 102 I N -2.582 117.979 120.570 -0.016 0.000 2.752 102 I HA 0.899 5.069 4.170 0.000 0.000 0.295 102 I C -0.465 175.636 176.117 -0.027 0.000 1.219 102 I CA -1.477 59.808 61.300 -0.024 0.000 1.030 102 I CB 2.388 40.369 38.000 -0.032 0.000 1.259 102 I HN 1.298 nan 8.210 nan 0.000 0.423 103 A N 5.326 128.126 122.820 -0.033 0.000 2.499 103 A HA 0.663 4.983 4.320 0.000 0.000 0.280 103 A C -0.671 176.882 177.584 -0.052 0.000 1.135 103 A CA -0.565 51.451 52.037 -0.035 0.000 0.744 103 A CB 1.110 20.099 19.000 -0.019 0.000 1.213 103 A HN 1.131 nan 8.150 nan 0.000 0.434 104 V N 0.296 120.163 119.914 -0.078 0.000 2.539 104 V HA 0.924 5.044 4.120 0.000 0.000 0.292 104 V C 0.007 176.035 176.094 -0.109 0.000 1.045 104 V CA -0.091 62.144 62.300 -0.109 0.000 0.945 104 V CB 1.388 33.113 31.823 -0.163 0.000 0.993 104 V HN 0.973 nan 8.190 nan 0.000 0.464 105 T N 5.426 119.917 114.554 -0.104 0.000 2.879 105 T HA 0.645 4.995 4.350 0.000 0.000 0.290 105 T C -0.863 173.772 174.700 -0.108 0.000 0.993 105 T CA -0.489 61.559 62.100 -0.087 0.000 0.975 105 T CB 0.780 69.616 68.868 -0.052 0.000 0.981 105 T HN 0.754 nan 8.240 nan 0.000 0.439 106 L N 4.649 125.802 121.223 -0.117 0.000 2.344 106 L HA 0.748 5.088 4.340 0.000 0.000 0.272 106 L C 0.576 177.382 176.870 -0.107 0.000 1.035 106 L CA -1.089 53.678 54.840 -0.122 0.000 0.807 106 L CB 1.691 43.660 42.059 -0.150 0.000 1.237 106 L HN 0.563 nan 8.230 nan 0.000 0.442 107 R N 0.064 120.498 120.500 -0.110 0.000 2.888 107 R HA 0.697 5.037 4.340 0.000 0.000 0.264 107 R C 0.107 176.329 176.300 -0.130 0.000 1.045 107 R CA -0.226 55.795 56.100 -0.131 0.000 0.962 107 R CB 1.712 31.959 30.300 -0.089 0.000 1.210 107 R HN 0.800 nan 8.270 nan 0.000 0.479 108 G N 1.444 110.152 108.800 -0.153 0.000 2.596 108 G HA2 -0.458 3.502 3.960 0.000 0.000 0.295 108 G HA3 -0.458 3.502 3.960 0.000 0.000 0.295 108 G C 0.635 175.525 174.900 -0.016 0.000 1.240 108 G CA 0.937 46.005 45.100 -0.054 0.000 0.985 108 G HN 0.707 nan 8.290 nan 0.000 0.555 109 N N -0.141 118.615 118.700 0.094 0.000 2.166 109 N HA -0.006 4.734 4.740 0.000 0.000 0.186 109 N C 2.321 177.883 175.510 0.086 0.000 1.019 109 N CA 2.248 55.389 53.050 0.151 0.000 0.856 109 N CB -0.295 38.255 38.487 0.105 0.000 0.993 109 N HN 0.473 nan 8.380 nan 0.000 0.426 110 L N 0.226 121.461 121.223 0.020 0.000 2.265 110 L HA -0.044 4.296 4.340 0.000 0.000 0.215 110 L C 2.330 179.204 176.870 0.006 0.000 1.117 110 L CA 1.191 56.032 54.840 0.002 0.000 0.782 110 L CB -0.632 41.400 42.059 -0.045 0.000 0.914 110 L HN 0.416 nan 8.230 nan 0.000 0.441 111 M N -2.129 117.430 119.600 -0.068 0.000 2.171 111 M HA -0.145 4.335 4.480 0.000 0.000 0.260 111 M C 2.297 178.560 176.300 -0.061 0.000 1.087 111 M CA 1.457 56.686 55.300 -0.119 0.000 1.154 111 M CB -0.140 32.250 32.600 -0.349 0.000 1.331 111 M HN 0.073 nan 8.290 nan 0.000 0.431 112 Y N 0.671 120.994 120.300 0.038 0.000 2.165 112 Y HA -0.186 4.364 4.550 0.000 0.000 0.286 112 Y C 2.741 178.665 175.900 0.041 0.000 1.155 112 Y CA 1.790 59.903 58.100 0.023 0.000 1.164 112 Y CB -1.247 37.214 38.460 0.002 0.000 0.978 112 Y HN 0.336 nan 8.280 nan 0.000 0.513 113 S N -0.179 115.645 115.700 0.206 0.000 2.356 113 S HA -0.195 4.275 4.470 0.000 0.000 0.223 113 S C 1.837 176.524 174.600 0.144 0.000 1.032 113 S CA 1.382 59.672 58.200 0.149 0.000 1.005 113 S CB -0.789 62.487 63.200 0.125 0.000 0.867 113 S HN 0.468 nan 8.310 nan 0.000 0.449 114 F N 2.208 122.155 119.950 -0.006 0.000 2.171 114 F HA -0.005 4.522 4.527 0.000 0.000 0.300 114 F C 1.846 177.632 175.800 -0.024 0.000 1.090 114 F CA 0.681 58.657 58.000 -0.041 0.000 1.293 114 F CB -0.528 38.424 39.000 -0.080 0.000 1.013 114 F HN 0.137 nan 8.300 nan 0.000 0.486 115 L N 0.630 121.805 121.223 -0.079 0.000 2.141 115 L HA -0.149 4.191 4.340 0.000 0.000 0.209 115 L C 1.818 178.631 176.870 -0.096 0.000 1.094 115 L CA 2.183 56.940 54.840 -0.138 0.000 0.763 115 L CB -1.165 40.905 42.059 0.018 0.000 0.908 115 L HN 0.204 nan 8.230 nan 0.000 0.437 116 D N -1.161 119.226 120.400 -0.021 0.000 2.224 116 D HA -0.141 4.499 4.640 0.000 0.000 0.205 116 D C 2.180 178.458 176.300 -0.037 0.000 0.965 116 D CA 0.851 54.853 54.000 0.003 0.000 0.852 116 D CB 0.162 40.989 40.800 0.045 0.000 0.947 116 D HN 0.300 nan 8.370 nan 0.000 0.494 117 R N -0.342 120.100 120.500 -0.097 0.000 2.082 117 R HA -0.095 4.245 4.340 0.000 0.000 0.228 117 R C 2.245 178.491 176.300 -0.090 0.000 1.140 117 R CA 1.151 57.196 56.100 -0.092 0.000 0.920 117 R CB -0.829 29.388 30.300 -0.138 0.000 0.828 117 R HN 0.199 nan 8.270 nan 0.000 0.430 118 L N 1.540 122.656 121.223 -0.178 0.000 2.089 118 L HA -0.206 4.134 4.340 0.000 0.000 0.213 118 L C 1.978 178.834 176.870 -0.023 0.000 1.079 118 L CA 1.677 56.476 54.840 -0.068 0.000 0.758 118 L CB -0.317 41.678 42.059 -0.106 0.000 0.891 118 L HN 0.224 nan 8.230 nan 0.000 0.433 119 I N -0.900 119.650 120.570 -0.033 0.000 2.110 119 I HA -0.287 3.883 4.170 0.000 0.000 0.236 119 I C 2.099 178.215 176.117 -0.002 0.000 1.068 119 I CA 1.841 63.138 61.300 -0.006 0.000 1.333 119 I CB -0.512 37.494 38.000 0.011 0.000 1.054 119 I HN 0.388 nan 8.210 nan 0.000 0.402 120 N N 0.766 119.465 118.700 -0.001 0.000 2.085 120 N HA -0.049 4.691 4.740 0.000 0.000 0.191 120 N C 0.520 176.026 175.510 -0.005 0.000 1.058 120 N CA 0.657 53.709 53.050 0.004 0.000 0.849 120 N CB -0.331 38.162 38.487 0.010 0.000 1.038 120 N HN 0.055 nan 8.380 nan 0.000 0.434 121 L N -2.441 118.779 121.223 -0.004 0.000 2.543 121 L HA 0.614 4.954 4.340 0.000 0.000 0.231 121 L C 1.138 177.999 176.870 -0.014 0.000 1.194 121 L CA -0.288 54.549 54.840 -0.005 0.000 0.823 121 L CB -0.231 41.836 42.059 0.014 0.000 1.374 121 L HN 0.352 nan 8.230 nan 0.000 0.507 122 A N -1.468 121.337 122.820 -0.025 0.000 3.925 122 A HA -0.204 4.116 4.320 0.000 0.000 0.247 122 A C 0.396 177.873 177.584 -0.179 0.000 0.630 122 A CA 1.923 53.913 52.037 -0.079 0.000 1.174 122 A CB -2.180 16.863 19.000 0.071 0.000 1.222 122 A HN 0.693 nan 8.150 nan 0.000 0.676 123 L N -1.135 119.993 121.223 -0.158 0.000 2.445 123 L HA 0.489 4.829 4.340 0.000 0.000 0.262 123 L C -2.329 174.465 176.870 -0.128 0.000 0.974 123 L CA -1.490 53.185 54.840 -0.275 0.000 0.822 123 L CB 2.429 44.241 42.059 -0.411 0.000 1.339 123 L HN 0.096 nan 8.230 nan 0.000 0.409 124 P HA 0.074 nan 4.420 nan 0.000 0.235 124 P C 0.583 177.814 177.300 -0.115 0.000 1.725 124 P CA -0.263 62.767 63.100 -0.118 0.000 0.894 124 P CB 0.311 32.105 31.700 0.157 0.000 1.704 125 R N 1.787 122.196 120.500 -0.153 0.000 2.117 125 R HA -0.089 4.251 4.340 0.000 0.000 0.243 125 R C 0.675 176.904 176.300 -0.118 0.000 1.143 125 R CA 1.533 57.565 56.100 -0.114 0.000 0.968 125 R CB -1.762 28.464 30.300 -0.124 0.000 0.863 125 R HN 0.260 nan 8.270 nan 0.000 0.444 126 T N 0.768 115.209 114.554 -0.188 0.000 2.829 126 T HA 0.046 4.397 4.350 0.000 0.000 0.293 126 T C 0.006 174.692 174.700 -0.024 0.000 0.970 126 T CA -0.620 61.401 62.100 -0.132 0.000 1.168 126 T CB 0.182 68.940 68.868 -0.183 0.000 0.911 126 T HN 0.469 nan 8.240 nan 0.000 0.535 127 R N 1.938 122.433 120.500 -0.008 0.000 2.585 127 R HA 0.111 4.451 4.340 0.000 0.000 0.275 127 R C -0.126 176.210 176.300 0.059 0.000 1.018 127 R CA -0.036 56.078 56.100 0.022 0.000 1.072 127 R CB -0.325 29.979 30.300 0.007 0.000 0.953 127 R HN 0.816 nan 8.270 nan 0.000 0.419 128 D N 1.393 121.834 120.400 0.068 0.000 2.956 128 D HA -0.242 4.398 4.640 0.000 0.000 0.240 128 D C -1.730 174.648 176.300 0.131 0.000 1.141 128 D CA 0.677 54.718 54.000 0.070 0.000 0.820 128 D CB -0.767 40.055 40.800 0.038 0.000 0.988 128 D HN 0.533 nan 8.370 nan 0.000 0.417 129 F N 2.545 122.475 119.950 -0.033 0.000 2.325 129 F HA 0.397 4.924 4.527 0.000 0.000 0.369 129 F C 1.223 176.999 175.800 -0.041 0.000 1.095 129 F CA -0.605 57.369 58.000 -0.044 0.000 1.082 129 F CB 0.668 39.641 39.000 -0.045 0.000 1.289 129 F HN 0.189 nan 8.300 nan 0.000 0.462 130 Q N 3.578 123.125 119.800 -0.422 0.000 1.891 130 Q HA 0.083 4.423 4.340 0.000 0.000 0.214 130 Q C 1.645 177.264 176.000 -0.634 0.000 0.995 130 Q CA 1.756 57.319 55.803 -0.400 0.000 0.866 130 Q CB -0.286 28.288 28.738 -0.273 0.000 0.931 130 Q HN 1.021 nan 8.270 nan 0.000 0.422 131 G N -1.109 107.205 108.800 -0.810 0.000 2.284 131 G HA2 -0.190 3.770 3.960 0.000 0.000 0.201 131 G HA3 -0.190 3.770 3.960 0.000 0.000 0.201 131 G C -0.055 174.668 174.900 -0.294 0.000 0.998 131 G CA -0.040 44.648 45.100 -0.685 0.000 0.651 131 G HN 0.224 nan 8.290 nan 0.000 0.489 132 V N 3.032 122.816 119.914 -0.218 0.000 2.421 132 V HA 0.349 4.469 4.120 0.000 0.000 0.271 132 V C 0.489 176.541 176.094 -0.070 0.000 1.031 132 V CA -0.303 61.938 62.300 -0.098 0.000 1.032 132 V CB 1.127 32.900 31.823 -0.084 0.000 1.009 132 V HN 0.480 nan 8.190 nan 0.000 0.477 133 N N 6.856 125.560 118.700 0.006 0.000 2.443 133 N HA 0.448 5.188 4.740 0.000 0.000 0.295 133 N C -1.611 173.911 175.510 0.019 0.000 1.076 133 N CA -1.272 51.797 53.050 0.032 0.000 0.919 133 N CB 2.302 40.884 38.487 0.158 0.000 1.176 133 N HN 0.435 nan 8.380 nan 0.000 0.487 134 P HA 0.039 nan 4.420 nan 0.000 0.327 134 P C 0.792 178.087 177.300 -0.008 0.000 1.342 134 P CA -0.255 62.842 63.100 -0.006 0.000 0.761 134 P CB 0.612 32.304 31.700 -0.013 0.000 1.675 135 N N -0.586 118.121 118.700 0.012 0.000 2.022 135 N HA -0.122 4.618 4.740 0.000 0.000 0.194 135 N C 0.628 176.091 175.510 -0.078 0.000 1.057 135 N CA 1.810 54.896 53.050 0.059 0.000 0.849 135 N CB -0.570 37.983 38.487 0.109 0.000 1.044 135 N HN 0.496 nan 8.380 nan 0.000 0.424 136 S N -1.398 114.268 115.700 -0.057 0.000 3.643 136 S HA -0.234 4.236 4.470 0.000 0.000 0.630 136 S C -0.497 174.119 174.600 0.025 0.000 2.469 136 S CA 0.701 58.822 58.200 -0.130 0.000 3.568 136 S CB -1.341 61.692 63.200 -0.279 0.000 0.271 136 S HN 0.521 nan 8.310 nan 0.000 1.199 137 F N 1.189 121.277 119.950 0.230 0.000 2.147 137 F HA -0.140 4.388 4.527 0.000 0.000 0.427 137 F C 1.105 176.987 175.800 0.136 0.000 1.258 137 F CA 0.892 59.027 58.000 0.226 0.000 1.337 137 F CB -0.749 38.375 39.000 0.205 0.000 3.313 137 F HN 0.849 nan 8.300 nan 0.000 0.555 138 D N 0.628 121.230 120.400 0.337 0.000 2.431 138 D HA 0.342 4.982 4.640 0.000 0.000 0.235 138 D C 1.642 178.052 176.300 0.184 0.000 0.980 138 D CA 1.047 55.171 54.000 0.207 0.000 0.912 138 D CB 0.663 41.566 40.800 0.172 0.000 1.056 138 D HN 1.493 nan 8.370 nan 0.000 0.494 139 G N -0.026 108.891 108.800 0.194 0.000 2.174 139 G HA2 -0.136 3.824 3.960 0.000 0.000 0.140 139 G HA3 -0.136 3.824 3.960 0.000 0.000 0.140 139 G C -0.316 174.693 174.900 0.182 0.000 1.031 139 G CA 0.027 45.212 45.100 0.143 0.000 0.728 139 G HN 0.577 nan 8.290 nan 0.000 0.496 140 H N -0.713 118.386 119.070 0.048 0.000 3.225 140 H HA 0.465 5.021 4.556 0.000 0.000 0.205 140 H C 1.029 176.372 175.328 0.024 0.000 1.314 140 H CA 0.407 56.467 56.048 0.020 0.000 1.336 140 H CB -0.108 29.668 29.762 0.023 0.000 2.276 140 H HN 1.364 nan 8.280 nan 0.000 0.535 141 G N 2.296 111.024 108.800 -0.120 0.000 2.366 141 G HA2 -0.299 3.661 3.960 0.000 0.000 0.299 141 G HA3 -0.299 3.661 3.960 0.000 0.000 0.299 141 G C -0.684 174.220 174.900 0.006 0.000 1.020 141 G CA 0.612 45.636 45.100 -0.126 0.000 1.026 141 G HN 0.590 nan 8.290 nan 0.000 0.512 142 N N -0.961 117.823 118.700 0.140 0.000 2.235 142 N HA 0.595 5.336 4.740 0.000 0.000 0.293 142 N C -1.467 174.258 175.510 0.358 0.000 1.083 142 N CA -0.539 52.634 53.050 0.204 0.000 0.801 142 N CB 2.163 40.751 38.487 0.167 0.000 1.559 142 N HN 0.185 nan 8.380 nan 0.000 0.472 143 Y N 0.659 121.063 120.300 0.174 0.000 2.512 143 Y HA 0.579 5.129 4.550 0.000 0.000 0.348 143 Y C -0.716 175.260 175.900 0.128 0.000 0.990 143 Y CA -0.706 57.501 58.100 0.179 0.000 1.033 143 Y CB 1.506 40.105 38.460 0.231 0.000 1.259 143 Y HN 0.605 nan 8.280 nan 0.000 0.461 144 S N 4.092 119.471 115.700 -0.535 0.000 2.546 144 S HA 0.880 5.350 4.470 0.000 0.000 0.274 144 S C -1.285 172.992 174.600 -0.539 0.000 1.121 144 S CA -0.328 57.660 58.200 -0.354 0.000 0.887 144 S CB 1.248 64.360 63.200 -0.147 0.000 1.094 144 S HN 1.161 nan 8.310 nan 0.000 0.474 145 V N -1.606 118.172 119.914 -0.227 0.000 3.167 145 V HA 1.068 5.188 4.120 0.000 0.000 0.310 145 V C 0.031 176.124 176.094 -0.003 0.000 1.207 145 V CA -0.389 61.813 62.300 -0.163 0.000 1.059 145 V CB 1.278 33.046 31.823 -0.093 0.000 1.079 145 V HN 1.519 nan 8.190 nan 0.000 0.446 146 G N -0.091 108.675 108.800 -0.056 0.000 2.667 146 G HA2 0.730 4.690 3.960 0.000 0.000 0.298 146 G HA3 0.730 4.690 3.960 0.000 0.000 0.298 146 G C -2.032 172.848 174.900 -0.034 0.000 1.377 146 G CA -0.547 44.601 45.100 0.079 0.000 0.964 146 G HN 0.559 nan 8.290 nan 0.000 0.493 147 F N 0.836 120.818 119.950 0.054 0.000 2.482 147 F HA 0.634 5.161 4.527 0.000 0.000 0.331 147 F C 0.783 176.608 175.800 0.040 0.000 1.115 147 F CA -1.037 56.998 58.000 0.057 0.000 0.955 147 F CB 2.089 41.137 39.000 0.080 0.000 1.136 147 F HN 0.275 nan 8.300 nan 0.000 0.452 148 R N 0.748 121.342 120.500 0.156 0.000 2.995 148 R HA 0.125 4.465 4.340 0.000 0.000 0.287 148 R C 0.875 177.236 176.300 0.102 0.000 1.168 148 R CA -0.231 55.928 56.100 0.098 0.000 1.183 148 R CB -0.015 30.320 30.300 0.058 0.000 1.157 148 R HN 0.611 nan 8.270 nan 0.000 0.577 149 E N 0.309 120.547 120.200 0.063 0.000 2.382 149 E HA -0.032 4.318 4.350 0.000 0.000 0.190 149 E C -0.503 176.117 176.600 0.032 0.000 1.125 149 E CA 0.417 56.846 56.400 0.048 0.000 0.929 149 E CB -0.043 29.677 29.700 0.033 0.000 1.053 149 E HN 0.176 nan 8.360 nan 0.000 0.475 150 Q N 0.484 120.303 119.800 0.033 0.000 3.484 150 Q HA 0.356 4.696 4.340 0.000 0.000 0.255 150 Q C -0.924 175.063 176.000 -0.021 0.000 0.909 150 Q CA -0.141 55.664 55.803 0.003 0.000 0.774 150 Q CB 1.302 30.043 28.738 0.006 0.000 1.431 150 Q HN 0.123 nan 8.270 nan 0.000 0.423 151 S N -0.361 115.299 115.700 -0.066 0.000 2.776 151 S HA 0.760 5.230 4.470 0.000 0.000 0.306 151 S C -0.687 173.702 174.600 -0.352 0.000 1.114 151 S CA -0.756 57.319 58.200 -0.209 0.000 0.973 151 S CB 2.209 65.255 63.200 -0.258 0.000 1.250 151 S HN 0.260 nan 8.310 nan 0.000 0.549 152 V N 1.531 121.026 119.914 -0.698 0.000 2.823 152 V HA 0.652 4.772 4.120 0.000 0.000 0.296 152 V C -2.420 173.182 176.094 -0.820 0.000 1.250 152 V CA -0.465 61.505 62.300 -0.550 0.000 0.939 152 V CB 1.165 32.812 31.823 -0.294 0.000 1.062 152 V HN 0.717 nan 8.190 nan 0.000 0.433 153 F N 5.747 125.667 119.950 -0.050 0.000 2.591 153 F HA 0.604 5.131 4.527 0.000 0.000 0.309 153 F C -1.850 173.935 175.800 -0.025 0.000 1.098 153 F CA -2.003 55.969 58.000 -0.047 0.000 0.937 153 F CB 2.084 41.056 39.000 -0.046 0.000 1.250 153 F HN 0.270 nan 8.300 nan 0.000 0.447 154 P HA -0.146 nan 4.420 nan 0.000 0.220 154 P C 0.626 177.978 177.300 0.087 0.000 1.144 154 P CA 1.456 64.613 63.100 0.096 0.000 0.800 154 P CB 0.392 32.140 31.700 0.080 0.000 0.772 155 E N -1.381 118.889 120.200 0.117 0.000 2.166 155 E HA 0.045 4.395 4.350 0.000 0.000 0.192 155 E C 0.785 177.431 176.600 0.076 0.000 0.967 155 E CA 0.159 56.603 56.400 0.074 0.000 0.840 155 E CB -0.363 29.366 29.700 0.047 0.000 0.795 155 E HN 0.117 nan 8.360 nan 0.000 0.470 156 I N 3.300 123.947 120.570 0.128 0.000 2.710 156 I HA -0.014 4.156 4.170 0.000 0.000 0.286 156 I C 0.338 176.489 176.117 0.057 0.000 1.181 156 I CA 0.008 61.371 61.300 0.106 0.000 1.430 156 I CB -0.038 38.060 38.000 0.163 0.000 1.367 156 I HN 0.041 nan 8.210 nan 0.000 0.577 157 K N 8.862 129.284 120.400 0.036 0.000 2.521 157 K HA 0.418 4.738 4.320 0.000 0.000 0.248 157 K C -2.674 173.934 176.600 0.013 0.000 0.978 157 K CA -1.738 54.561 56.287 0.020 0.000 0.947 157 K CB 1.693 34.202 32.500 0.015 0.000 1.165 157 K HN 0.252 nan 8.250 nan 0.000 0.445 158 P HA -0.031 nan 4.420 nan 0.000 0.271 158 P C 0.006 177.307 177.300 0.001 0.000 1.535 158 P CA 0.333 63.434 63.100 0.002 0.000 0.820 158 P CB 0.036 31.733 31.700 -0.006 0.000 1.606 159 E N -0.474 119.728 120.200 0.003 0.000 2.332 159 E HA 0.094 4.444 4.350 0.000 0.000 0.202 159 E C 0.565 177.166 176.600 0.002 0.000 0.877 159 E CA -0.221 56.180 56.400 0.002 0.000 0.979 159 E CB 0.040 29.741 29.700 0.002 0.000 0.969 159 E HN 0.085 nan 8.360 nan 0.000 0.495 160 I N 2.621 123.193 120.570 0.003 0.000 2.862 160 I HA 0.232 4.402 4.170 0.000 0.000 0.285 160 I C -1.091 175.027 176.117 0.003 0.000 1.339 160 I CA -1.039 60.262 61.300 0.002 0.000 1.002 160 I CB 1.362 39.363 38.000 0.001 0.000 1.618 160 I HN 0.122 nan 8.210 nan 0.000 0.593 161 V N 1.949 121.864 119.914 0.003 0.000 3.114 161 V HA 0.885 5.005 4.120 0.000 0.000 0.308 161 V C 0.872 176.967 176.094 0.002 0.000 1.168 161 V CA -0.088 62.215 62.300 0.004 0.000 1.015 161 V CB 0.924 32.752 31.823 0.008 0.000 1.050 161 V HN 0.319 nan 8.190 nan 0.000 0.433 162 G N 1.275 110.076 108.800 0.002 0.000 2.705 162 G HA2 0.139 4.099 3.960 0.000 0.000 0.214 162 G HA3 0.139 4.099 3.960 0.000 0.000 0.214 162 G C 0.321 175.222 174.900 0.002 0.000 1.321 162 G CA 0.817 45.917 45.100 0.001 0.000 0.826 162 G HN 0.714 nan 8.290 nan 0.000 0.595 163 K N -0.419 119.983 120.400 0.003 0.000 2.477 163 K HA 0.612 4.932 4.320 0.000 0.000 0.255 163 K C -0.623 175.982 176.600 0.008 0.000 0.952 163 K CA -0.788 55.502 56.287 0.004 0.000 0.826 163 K CB 1.930 34.432 32.500 0.003 0.000 1.331 163 K HN 0.326 nan 8.250 nan 0.000 0.437 164 A N 2.364 125.189 122.820 0.008 0.000 2.537 164 A HA 0.143 4.463 4.320 0.000 0.000 0.260 164 A C 0.186 177.781 177.584 0.019 0.000 1.082 164 A CA 0.524 52.568 52.037 0.011 0.000 0.765 164 A CB -0.248 18.756 19.000 0.007 0.000 1.019 164 A HN 0.611 nan 8.150 nan 0.000 0.507 165 R N 2.326 122.843 120.500 0.028 0.000 2.686 165 R HA 0.559 4.899 4.340 0.000 0.000 0.283 165 R C 0.451 176.785 176.300 0.058 0.000 0.978 165 R CA -0.064 56.058 56.100 0.036 0.000 0.897 165 R CB 1.699 32.017 30.300 0.029 0.000 1.192 165 R HN 0.806 nan 8.270 nan 0.000 0.457 166 G N 2.283 111.127 108.800 0.073 0.000 2.543 166 G HA2 0.598 4.558 3.960 0.000 0.000 0.267 166 G HA3 0.598 4.558 3.960 0.000 0.000 0.267 166 G C -0.402 174.563 174.900 0.109 0.000 1.406 166 G CA -0.533 44.636 45.100 0.116 0.000 1.048 166 G HN 0.656 nan 8.290 nan 0.000 0.548 167 M N -1.894 117.794 119.600 0.147 0.000 2.790 167 M HA 0.431 4.911 4.480 0.000 0.000 0.272 167 M C -2.325 174.075 176.300 0.166 0.000 1.168 167 M CA -0.985 54.379 55.300 0.106 0.000 0.829 167 M CB 2.066 34.693 32.600 0.045 0.000 1.675 167 M HN 0.268 nan 8.290 nan 0.000 0.505 168 D N 1.394 121.864 120.400 0.118 0.000 2.181 168 D HA 0.628 5.268 4.640 0.000 0.000 0.248 168 D C -0.974 175.401 176.300 0.125 0.000 1.020 168 D CA -0.305 53.779 54.000 0.139 0.000 0.891 168 D CB 2.913 43.761 40.800 0.080 0.000 1.187 168 D HN 0.454 nan 8.370 nan 0.000 0.443 169 V N 1.808 121.821 119.914 0.165 0.000 2.398 169 V HA 0.144 4.264 4.120 0.000 0.000 0.282 169 V C -0.399 175.753 176.094 0.097 0.000 1.014 169 V CA -0.741 61.645 62.300 0.143 0.000 0.838 169 V CB 1.234 33.197 31.823 0.232 0.000 1.018 169 V HN 0.670 nan 8.190 nan 0.000 0.432 170 C N 6.203 125.544 119.300 0.069 0.000 2.223 170 C HA 0.554 5.014 4.460 0.000 0.000 0.324 170 C C 0.412 175.447 174.990 0.075 0.000 1.196 170 C CA -0.653 58.397 59.018 0.052 0.000 1.628 170 C CB -0.290 27.473 27.740 0.040 0.000 2.229 170 C HN 0.835 nan 8.230 nan 0.000 0.486 171 I N 3.890 124.523 120.570 0.105 0.000 2.307 171 I HA 0.318 4.488 4.170 0.000 0.000 0.289 171 I C 0.258 176.455 176.117 0.133 0.000 1.021 171 I CA 0.628 62.002 61.300 0.123 0.000 1.224 171 I CB 0.862 38.961 38.000 0.165 0.000 1.376 171 I HN 0.624 nan 8.210 nan 0.000 0.470 172 T N 5.171 119.779 114.554 0.091 0.000 2.867 172 T HA 0.609 4.959 4.350 0.000 0.000 0.282 172 T C 0.013 174.748 174.700 0.058 0.000 1.000 172 T CA -0.193 61.958 62.100 0.084 0.000 1.042 172 T CB 0.945 69.853 68.868 0.066 0.000 0.973 172 T HN 0.800 nan 8.240 nan 0.000 0.465 173 T N -0.068 114.516 114.554 0.050 0.000 2.807 173 T HA 0.454 4.804 4.350 0.000 0.000 0.277 173 T C 1.175 175.868 174.700 -0.011 0.000 1.006 173 T CA -0.093 62.021 62.100 0.023 0.000 1.006 173 T CB 0.913 69.802 68.868 0.036 0.000 1.274 173 T HN 0.572 nan 8.240 nan 0.000 0.569 174 T N -1.706 112.837 114.554 -0.018 0.000 3.188 174 T HA 0.487 4.837 4.350 0.000 0.000 0.250 174 T C 0.902 175.544 174.700 -0.097 0.000 1.077 174 T CA -0.136 61.941 62.100 -0.038 0.000 0.967 174 T CB -0.816 68.047 68.868 -0.008 0.000 1.006 174 T HN 0.978 nan 8.240 nan 0.000 0.552 175 A N 1.424 124.168 122.820 -0.126 0.000 2.498 175 A HA 0.438 4.758 4.320 0.000 0.000 0.239 175 A C 1.163 178.556 177.584 -0.319 0.000 1.068 175 A CA -0.433 51.483 52.037 -0.201 0.000 0.766 175 A CB 0.443 19.332 19.000 -0.185 0.000 1.003 175 A HN 0.332 nan 8.150 nan 0.000 0.497 176 K N 0.320 120.539 120.400 -0.301 0.000 2.067 176 K HA 0.088 4.408 4.320 0.000 0.000 0.203 176 K C 1.185 177.610 176.600 -0.291 0.000 1.048 176 K CA 1.553 57.658 56.287 -0.303 0.000 0.954 176 K CB -0.154 32.247 32.500 -0.166 0.000 0.737 176 K HN 0.721 nan 8.250 nan 0.000 0.444 177 T N -0.009 114.400 114.554 -0.243 0.000 2.927 177 T HA 0.087 4.437 4.350 0.000 0.000 0.286 177 T C 0.339 174.910 174.700 -0.216 0.000 1.040 177 T CA -0.687 61.306 62.100 -0.178 0.000 1.010 177 T CB 0.960 69.737 68.868 -0.153 0.000 1.177 177 T HN 0.254 nan 8.240 nan 0.000 0.546 178 D N 1.364 121.649 120.400 -0.192 0.000 2.144 178 D HA -0.160 4.480 4.640 0.000 0.000 0.200 178 D C 1.557 177.570 176.300 -0.478 0.000 0.978 178 D CA 1.053 54.885 54.000 -0.279 0.000 0.833 178 D CB -0.204 40.400 40.800 -0.327 0.000 0.961 178 D HN 0.791 nan 8.370 nan 0.000 0.470 179 K N 0.831 120.988 120.400 -0.405 0.000 2.442 179 K HA -0.110 4.210 4.320 0.000 0.000 0.198 179 K C 1.173 177.369 176.600 -0.672 0.000 1.044 179 K CA 1.031 56.997 56.287 -0.535 0.000 0.948 179 K CB -0.179 32.255 32.500 -0.110 0.000 0.762 179 K HN 0.155 nan 8.250 nan 0.000 0.472 180 E N 0.010 119.924 120.200 -0.475 0.000 2.465 180 E HA 0.140 4.490 4.350 0.000 0.000 0.195 180 E C 1.068 177.497 176.600 -0.285 0.000 1.028 180 E CA 0.035 56.209 56.400 -0.377 0.000 0.899 180 E CB 0.780 30.134 29.700 -0.577 0.000 1.032 180 E HN 0.474 nan 8.360 nan 0.000 0.468 181 A N 0.774 123.374 122.820 -0.367 0.000 1.909 181 A HA -0.061 4.259 4.320 0.000 0.000 0.209 181 A C 1.898 179.427 177.584 -0.092 0.000 1.247 181 A CA 0.315 52.272 52.037 -0.133 0.000 0.660 181 A CB -0.541 18.473 19.000 0.024 0.000 0.910 181 A HN 0.371 nan 8.150 nan 0.000 0.465 182 Y N -0.089 120.196 120.300 -0.026 0.000 2.439 182 Y HA 0.122 4.672 4.550 0.000 0.000 0.292 182 Y C 1.680 177.490 175.900 -0.150 0.000 1.130 182 Y CA 1.249 59.218 58.100 -0.219 0.000 1.254 182 Y CB -0.523 37.771 38.460 -0.277 0.000 1.000 182 Y HN 0.174 nan 8.280 nan 0.000 0.554 183 K N 0.804 121.154 120.400 -0.083 0.000 2.365 183 K HA -0.005 4.315 4.320 0.000 0.000 0.199 183 K C 1.557 178.229 176.600 0.121 0.000 1.045 183 K CA 0.795 57.134 56.287 0.087 0.000 0.962 183 K CB -0.398 32.154 32.500 0.086 0.000 0.759 183 K HN 0.463 nan 8.250 nan 0.000 0.469 184 L N -0.393 120.899 121.223 0.114 0.000 2.408 184 L HA 0.256 4.596 4.340 0.000 0.000 0.215 184 L C 1.340 178.332 176.870 0.203 0.000 1.081 184 L CA 1.092 56.033 54.840 0.169 0.000 0.840 184 L CB 0.116 42.269 42.059 0.156 0.000 1.002 184 L HN 0.141 nan 8.230 nan 0.000 0.468 185 L N -1.156 120.204 121.223 0.228 0.000 2.354 185 L HA 0.053 4.393 4.340 0.000 0.000 0.212 185 L C 2.513 179.674 176.870 0.484 0.000 1.091 185 L CA 0.838 55.894 54.840 0.359 0.000 0.828 185 L CB -0.508 41.839 42.059 0.480 0.000 0.973 185 L HN 0.349 nan 8.230 nan 0.000 0.461 186 S N 0.745 116.668 115.700 0.373 0.000 2.345 186 S HA -0.129 4.341 4.470 0.000 0.000 0.220 186 S C 1.835 176.581 174.600 0.245 0.000 1.031 186 S CA 0.869 59.285 58.200 0.359 0.000 0.996 186 S CB -0.748 62.521 63.200 0.114 0.000 0.882 186 S HN 0.348 nan 8.310 nan 0.000 0.445 187 L N 0.530 121.856 121.223 0.172 0.000 2.551 187 L HA 0.194 4.534 4.340 0.000 0.000 0.228 187 L C 2.615 179.567 176.870 0.136 0.000 1.153 187 L CA 0.634 55.550 54.840 0.127 0.000 0.851 187 L CB -0.480 41.634 42.059 0.092 0.000 0.959 187 L HN 0.431 nan 8.230 nan 0.000 0.451 188 M N -0.689 119.016 119.600 0.173 0.000 2.216 188 M HA 0.031 4.511 4.480 0.000 0.000 0.264 188 M C 1.395 177.773 176.300 0.131 0.000 1.080 188 M CA 1.995 57.392 55.300 0.162 0.000 1.153 188 M CB 0.313 33.026 32.600 0.190 0.000 1.356 188 M HN 0.256 nan 8.290 nan 0.000 0.432 189 G N 0.152 109.035 108.800 0.138 0.000 3.272 189 G HA2 -0.059 3.901 3.960 0.000 0.000 0.219 189 G HA3 -0.059 3.901 3.960 0.000 0.000 0.219 189 G C 0.187 175.120 174.900 0.056 0.000 0.952 189 G CA -0.093 45.064 45.100 0.094 0.000 0.833 189 G HN 0.418 nan 8.290 nan 0.000 0.608 190 M N 2.476 122.104 119.600 0.047 0.000 2.252 190 M HA 0.379 4.859 4.480 0.000 0.000 0.348 190 M C -2.163 173.902 176.300 -0.393 0.000 1.334 190 M CA -1.020 54.192 55.300 -0.147 0.000 1.071 190 M CB 0.507 33.010 32.600 -0.161 0.000 1.763 190 M HN -0.091 nan 8.290 nan 0.000 0.452 191 P HA 0.103 nan 4.420 nan 0.000 0.263 191 P C -1.433 175.526 177.300 -0.567 0.000 1.195 191 P CA 0.633 63.586 63.100 -0.246 0.000 0.762 191 P CB 0.191 31.914 31.700 0.037 0.000 0.799 192 F N 0.000 119.969 119.950 0.031 0.000 2.286 192 F HA 0.000 4.527 4.527 0.000 0.000 0.279 192 F CA 0.000 57.995 58.000 -0.008 0.000 1.383 192 F CB 0.000 38.995 39.000 -0.009 0.000 1.145 192 F HN 0.000 nan 8.300 nan 0.000 0.574